DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SILGEXOUELDSRZ-GMCHKSTQSA-N
SMILES
CCCC1CN(C(=O)N1)Cc2ccc(cc2)CN3C(=O)C(NC3=N)(CCC4CCCCC4)CC5CCCCC5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 3L5E
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Color Legend
Unassigned regionsLigand / hetero atomse3l5eA2e3l5eA3e3l5eB2e3l5eB3
ECOD domains from experimental PDB structures interacting with ligand BDW
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aBDW3l5ee3l5eA2A:245-447
P56817n/aBDW3l5ee3l5eA3A:58-244
P56817n/aBDW3l5ee3l5eB2B:245-446
P56817n/aBDW3l5ee3l5eB3B:58-244